SCHEMBL5284530

SCHEMBL5284530

CC(C)(C)Cc1[nH]nnc1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5273229 0.79 ALDH1A1 (0.32) ALDH1A1KMT2A
SCHEMBL5280256 0.75 FBP1 (0.34)
SCHEMBL5278295 0.74 ALDH1A1 (0.36) ALDH1A1MEN1KMT2A
SCHEMBL5276469 0.73 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL5276095 0.72 ALDH1A1 (0.46) ALDH1A1
SCHEMBL5276709 0.69
SCHEMBL5278803 0.69
SCHEMBL5279097 0.67
SCHEMBL5280326 0.67
SCHEMBL18705278 0.67

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed